4DOI

Crystal structure of Arabidopsis thaliana chalcone isomerase At3g55120 (AtCHI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-25
Detector	ADSC Quantum Q315
Spacegroup name	P 1 21 1
Unit cell lengths	47.245, 63.781, 80.106
Unit cell angles	90.00, 96.70, 90.00

Refinement procedure

Resolution	99.000 - 1.550
Rwork	0.182
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyq
RMSD bond length	0.005
RMSD bond angle	1.222
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	1.590
High resolution limit [Å]	1.550	3.820	1.550
Rmerge	0.067	0.039	0.440
Number of reflections	65875
<I/σ(I)>	8
Completeness [%]	96.1	99.6	68.5
Redundancy	4.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M sodium HEPES, 28% (w/v) PEG 8000, 0.3 M magnesium nitrate, 2 mM dithiothreitol, pH 7.0, vapor diffusion, hanging drop, temperature 277K